Geometry & MOs

Info

ID:	61995
PubChem CID:	26716750
Reduced:	SN2O5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	442.119858
ΔH_f, kcal/mol:	-130.48
Dipole, Da:	4.25
IP(EA), eV:	-8.61(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC(=O)[C@@H](CCSC)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations